2-(4-formylphenoxy)benzene-1,4-dicarbonitrile

C15H8N2O2 — CID 175192999

IUPAC2-(4-formylphenoxy)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(Oc2ccc(C=O)cc2)c1
InChIInChI=1S/C15H8N2O2/c16-8-12-1-4-13(9-17)15(7-12)19-14-5-2-11(10-18)3-6-14/h1-7,10H
InChIKeyBTDWAQGOPUIIAD-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.03
Rot. Bonds3

About 2-(4-formylphenoxy)benzene-1,4-dicarbonitrile

2-(4-formylphenoxy)benzene-1,4-dicarbonitrile (PubChem CID 175192999) has the molecular formula C15H8N2O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(4-formylphenoxy)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-(4-formylphenoxy)benzene-1,4-dicarbonitrile
PubChem CID175192999
Molecular FormulaC15H8N2O2
Molecular Weight248.24 g/mol
Exact Mass248.06
IUPAC Name2-(4-formylphenoxy)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(Oc2ccc(C=O)cc2)c1
InChIInChI=1S/C15H8N2O2/c16-8-12-1-4-13(9-17)15(7-12)19-14-5-2-11(10-18)3-6-14/h1-7,10H
InChIKeyBTDWAQGOPUIIAD-UHFFFAOYSA-N
XLogP3.03
TPSA73.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(4-formylphenoxy)benzene-1,4-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-(4-formylphenoxy)benzonitrile;4-fluoro-2-(4-formylphenoxy)benzonitrile
CID 162039414
3-(4-formylphenoxy)benzonitrile
CID 13238539
2-(4-bromophenoxy)-5-formylbenzonitrile
CID 114063339
4-formylbenzonitrile;methane
CID 143070509
4-(4-formyl-2-nitrophenoxy)benzonitrile
CID 27815691
4-(4-formylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 51051320
4-(4-formyl-2-methoxyphenoxy)benzene-1,2-dicarbonitrile
CID 16762075
4-(3-formylphenoxy)benzonitrile
CID 13238540
4-(3-fluoro-5-formylphenoxy)benzonitrile
CID 104881312
5-formyl-2-(3,4,5-trifluorophenoxy)benzonitrile
CID 86724189
2-[3-chloro-4-(trifluoromethyl)phenoxy]-5-formylbenzonitrile
CID 87170517
3-(4-formyl-2-methylphenoxy)benzonitrile
CID 62121795

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylphenoxy)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-(4-formylphenoxy)benzene-1,4-dicarbonitrile (CID 175192999) is 2-(4-formylphenoxy)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-(4-formylphenoxy)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-(4-formylphenoxy)benzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(Oc2ccc(C=O)cc2)c1.
What is the InChIKey of 2-(4-formylphenoxy)benzene-1,4-dicarbonitrile?
The InChIKey is BTDWAQGOPUIIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O2/c16-8-12-1-4-13(9-17)15(7-12)19-14-5-2-11(10-18)3-6-14/h1-7,10H.
What are the key properties of 2-(4-formylphenoxy)benzene-1,4-dicarbonitrile?
2-(4-formylphenoxy)benzene-1,4-dicarbonitrile has a molecular weight of 248.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenoxy)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 175192999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).